#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyp s ILE 3 N 0.00 0.74 0.64 12.58 -4.36 -0.87 -4.99 121.20 124.94 1xyp s ILE 3 Ca 0.00 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1xyp s ILE 3 Cb 0.00 -2.21 0.05 0.00 1.25 0.00 0.00 42.46 41.54 1xyp s ILE 3 CO 0.00 -0.40 0.91 -1.10 0.24 0.00 0.00 174.94 174.59 1xyp s GLN 4 N -3.91 2.37 0.48 0.37 -1.52 -1.26 -4.51 119.66 111.68 1xyp s GLN 4 Ca 0.26 -0.45 -0.22 0.00 -1.95 0.00 0.00 55.36 53.00 1xyp s GLN 4 Cb 0.06 -2.30 -0.09 0.00 -0.22 0.00 0.00 33.01 30.46 1xyp s GLN 4 CO 0.06 -1.00 0.96 -2.30 -0.25 0.00 0.00 175.29 172.76 1xyp n PRO 5 N -2.68 1.19 -3.79 2.91 -0.02 -1.26 -4.92 135.00 126.43 1xyp n PRO 5 Ca 0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1xyp n PRO 5 Cb 0.60 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1xyp n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xyp n GLY 6 N 1.25 -2.54 3.25 -1.23 0.00 -0.40 -4.99 105.19 100.53 1xyp n GLY 6 Ca 0.10 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1xyp n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyp s THR 7 N -2.02 0.55 -5.00 2.61 -4.23 -1.26 -1.21 115.64 105.07 1xyp s THR 7 Ca 0.00 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1xyp s THR 7 Cb 0.00 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1xyp s THR 7 CO 0.00 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1xyp n GLY 8 N -0.28 -0.46 3.24 3.99 0.00 -0.88 -4.98 105.19 105.82 1xyp n GLY 8 Ca -0.04 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 1xyp n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyp s TYR 9 N -3.01 2.01 -0.05 1.61 2.02 -1.26 -0.46 117.35 118.21 1xyp s TYR 9 Ca 0.00 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1xyp s TYR 9 Cb 0.00 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1xyp s TYR 9 CO 0.00 -0.05 0.08 1.21 -1.57 0.00 0.00 175.55 175.21 1xyp s ASN 10 N -0.46 0.89 -1.34 2.29 3.84 0.12 -4.87 114.94 115.41 1xyp s ASN 10 Ca 0.07 0.13 -0.02 0.00 0.21 0.00 0.00 52.86 53.25 1xyp s ASN 10 Cb -0.09 -0.04 0.01 0.00 -0.55 0.00 0.00 41.25 40.58 1xyp s ASN 10 CO -0.00 -0.23 0.15 0.59 -2.79 0.00 0.00 177.10 174.81 1xyp n ASN 11 N 5.13 -4.70 0.00 -4.21 3.02 -1.26 -1.44 115.26 111.80 1xyp n ASN 11 Ca -0.07 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1xyp n ASN 11 Cb 0.50 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 1xyp n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xyp n GLY 12 N -1.01 1.78 3.51 7.41 0.00 -1.26 -4.56 105.19 111.06 1xyp n GLY 12 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1xyp n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyp s TYR 13 N -2.44 2.65 0.44 1.61 1.51 -0.52 -5.08 117.35 115.51 1xyp s TYR 13 Ca 0.00 -0.20 -0.23 0.00 -1.01 0.00 0.00 57.07 55.63 1xyp s TYR 13 Cb 0.00 -1.45 -0.08 0.00 -0.11 0.00 0.00 41.96 40.31 1xyp s TYR 13 CO 0.00 0.34 1.07 0.12 -1.11 0.00 0.00 175.55 175.97 1xyp s PHE 14 N -1.06 3.10 0.03 2.71 5.36 -0.70 0.14 117.98 127.57 1xyp s PHE 14 Ca 0.17 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 1xyp s PHE 14 Cb -0.11 -3.15 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 1xyp s PHE 14 CO 0.09 -0.86 -0.04 1.52 -1.46 0.00 0.00 175.22 174.47 1xyp s TYR 15 N -1.74 0.41 -0.06 10.12 -0.85 0.39 -0.58 117.35 125.05 1xyp s TYR 15 Ca 0.62 -0.67 -0.02 0.00 -0.52 0.00 0.00 57.07 56.48 1xyp s TYR 15 Cb -0.21 -0.28 0.04 0.00 0.38 0.00 0.00 41.96 41.88 1xyp s TYR 15 CO 0.26 -0.22 0.11 0.45 -1.52 0.00 0.00 175.55 174.63 1xyp s SER 16 N -1.90 0.21 -0.07 -0.18 0.15 -0.84 -2.07 113.70 109.00 1xyp s SER 16 Ca -0.08 0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.79 1xyp s SER 16 Cb -0.05 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 1xyp s SER 16 CO -0.03 -0.17 -0.06 -0.47 1.20 0.00 0.00 173.24 173.71 1xyp s TYR 17 N 1.46 1.01 0.02 3.44 5.04 -0.35 -1.85 117.35 126.11 1xyp s TYR 17 Ca -0.05 -0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.22 1xyp s TYR 17 Cb -0.12 -0.88 -0.01 0.00 0.35 0.00 0.00 41.96 41.30 1xyp s TYR 17 CO -0.05 -0.30 -0.04 -0.46 -1.34 0.00 0.00 175.55 173.36 1xyp s TRP 18 N 1.23 0.35 0.09 4.97 -0.00 0.27 -1.28 118.94 124.57 1xyp s TRP 18 Ca -0.05 -0.32 -0.09 0.00 -0.00 0.00 0.00 56.10 55.63 1xyp s TRP 18 Cb -0.14 -0.22 0.00 0.00 -0.00 0.00 0.00 33.47 33.11 1xyp s TRP 18 CO -0.02 -0.08 0.21 0.54 -0.00 0.00 0.00 176.95 177.60 1xyp s ASN 19 N -0.91 0.08 0.00 5.86 2.20 -1.26 -1.10 114.94 119.81 1xyp s ASN 19 Ca -0.07 -0.61 0.26 0.00 -0.94 0.00 0.00 52.86 51.50 1xyp s ASN 19 Cb -0.06 0.35 1.51 0.00 -2.00 0.00 0.00 41.25 41.05 1xyp s ASN 19 CO -0.00 -0.73 1.98 -0.90 -2.94 0.00 0.00 177.10 174.50 1xyp n ASP 20 N -0.04 0.11 0.00 3.54 5.75 -0.38 -4.89 116.55 120.64 1xyp n ASP 20 Ca -0.15 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 1xyp n ASP 20 Cb 0.62 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1xyp n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xyp n GLY 21 N 0.93 0.76 0.26 6.12 0.00 -1.26 -4.97 105.19 107.02 1xyp n GLY 21 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1xyp n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xyp h HIS 22 N 0.00 0.61 0.00 1.61 6.17 -1.90 -3.50 115.15 118.13 1xyp h HIS 22 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 60.99 1xyp h HIS 22 Cb 0.00 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 29.77 1xyp h HIS 22 CO 0.00 0.65 0.00 0.41 0.71 0.00 0.00 177.93 179.70 1xyp n GLY 23 N -0.64 2.06 1.11 5.26 0.00 -1.26 -4.85 105.19 106.86 1xyp n GLY 23 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1xyp n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyp n GLY 24 N 1.91 0.67 2.91 -0.02 0.00 -1.26 -3.78 105.19 105.62 1xyp n GLY 24 Ca 0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 1xyp n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyp s VAL 25 N -2.00 0.51 -0.18 1.61 1.01 -1.26 -0.32 120.40 119.76 1xyp s VAL 25 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1xyp s VAL 25 Cb 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.90 1xyp s VAL 25 CO 0.00 0.20 -0.12 -0.89 0.00 0.00 0.00 175.10 174.29 1xyp s THR 26 N 0.67 1.66 -0.15 3.92 2.01 0.24 -5.01 115.64 118.98 1xyp s THR 26 Ca -0.09 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 1xyp s THR 26 Cb -0.12 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1xyp s THR 26 CO 0.00 0.28 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.67 1xyp s TYR 27 N 1.41 2.95 -0.09 4.92 6.14 -1.26 -1.29 117.35 130.12 1xyp s TYR 27 Ca 0.01 -0.46 0.01 0.00 0.64 0.00 0.00 57.07 57.27 1xyp s TYR 27 Cb -0.15 -1.93 0.02 0.00 0.42 0.00 0.00 41.96 40.32 1xyp s TYR 27 CO -0.09 -0.13 -0.11 0.99 0.64 0.00 0.00 175.55 176.85 1xyp s THR 28 N 0.44 1.16 -0.01 4.34 2.01 0.02 -2.04 115.64 121.54 1xyp s THR 28 Ca -0.06 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1xyp s THR 28 Cb -0.15 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 1xyp s THR 28 CO 0.04 0.37 1.00 0.20 -0.69 0.00 0.00 174.62 175.54 1xyp s ASN 29 N 1.11 7.34 0.06 3.53 0.01 -1.26 -1.23 114.94 124.49 1xyp s ASN 29 Ca -0.06 1.66 0.01 0.00 -0.71 0.00 0.00 52.86 53.76 1xyp s ASN 29 Cb -0.14 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 38.95 1xyp s ASN 29 CO -0.02 -0.30 0.04 0.61 -1.51 0.00 0.00 177.10 175.92 1xyp n GLY 30 N 2.95 2.99 3.75 0.66 0.00 0.60 -4.76 105.19 111.38 1xyp n GLY 30 Ca 0.07 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1xyp n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xyp s PRO 31 N -2.23 3.01 4.12 1.61 0.02 -1.26 -4.37 135.00 135.89 1xyp s PRO 31 Ca 0.03 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.13 1xyp s PRO 31 Cb -0.00 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1xyp s PRO 31 CO 0.02 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 175.85 1xyp n GLY 32 N 0.71 3.18 1.47 0.52 0.00 -1.26 -1.35 105.19 108.46 1xyp n GLY 32 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1xyp n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyp n GLY 33 N 0.00 2.64 3.89 -0.02 0.00 -1.26 -4.67 105.19 105.77 1xyp n GLY 33 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1xyp n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xyp s GLN 34 N -2.16 3.61 0.01 1.61 0.74 -0.46 -0.76 119.66 122.26 1xyp s GLN 34 Ca 0.36 -0.06 -0.09 0.00 0.05 0.00 0.00 55.36 55.62 1xyp s GLN 34 Cb 0.28 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 31.40 1xyp s GLN 34 CO 0.10 0.57 0.18 -0.59 -0.55 0.00 0.00 175.29 175.00 1xyp s PHE 35 N -1.45 0.03 0.01 1.67 -0.71 -0.17 -0.29 117.98 117.07 1xyp s PHE 35 Ca 0.33 -0.14 0.04 0.00 -1.04 0.00 0.00 56.93 56.12 1xyp s PHE 35 Cb -0.13 -0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 1xyp s PHE 35 CO 0.20 -0.35 -0.13 -1.12 -1.34 0.00 0.00 175.22 172.49 1xyp s SER 36 N -1.63 1.48 -0.04 1.98 0.01 -0.37 -1.03 113.70 114.09 1xyp s SER 36 Ca -0.11 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1xyp s SER 36 Cb -0.05 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1xyp s SER 36 CO 0.00 0.11 -0.06 -0.69 0.41 0.00 0.00 173.24 173.01 1xyp s VAL 37 N -0.47 0.61 -0.11 3.43 1.01 -0.37 -0.80 120.40 123.70 1xyp s VAL 37 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1xyp s VAL 37 Cb -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1xyp s VAL 37 CO 0.00 0.23 -0.09 0.20 0.00 0.00 0.00 175.10 175.44 1xyp s ASN 38 N 0.76 2.18 0.06 3.32 0.01 -0.41 -1.18 114.94 119.68 1xyp s ASN 38 Ca -0.11 -0.33 0.03 0.00 -0.71 0.00 0.00 52.86 51.75 1xyp s ASN 38 Cb -0.14 -0.89 -0.03 0.00 0.41 0.00 0.00 41.25 40.61 1xyp s ASN 38 CO 0.01 -0.08 -0.10 -1.66 -1.51 0.00 0.00 177.10 173.76 1xyp s TRP 39 N 1.50 0.88 -0.21 2.20 -2.14 -0.54 -0.60 118.94 120.04 1xyp s TRP 39 Ca 0.02 -0.54 -0.04 0.00 2.66 0.00 0.00 56.10 58.20 1xyp s TRP 39 Cb -0.13 -0.51 0.11 0.00 -3.10 0.00 0.00 33.47 29.84 1xyp s TRP 39 CO -0.06 -0.04 0.33 0.45 -2.66 0.00 0.00 176.95 174.97 1xyp s SER 40 N -1.83 0.41 -1.24 -2.66 0.15 0.56 -1.11 113.70 107.98 1xyp s SER 40 Ca -0.04 0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.86 1xyp s SER 40 Cb -0.08 0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 65.15 1xyp s SER 40 CO 0.01 -0.28 0.71 0.59 1.20 0.00 0.00 173.24 175.46 1xyp n ASN 41 N 5.36 -2.94 -2.77 5.45 3.02 -0.39 -4.51 115.26 118.48 1xyp n ASN 41 Ca -0.05 -0.90 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 1xyp n ASN 41 Cb 0.50 -3.80 0.08 0.00 -0.61 0.00 0.00 39.78 35.94 1xyp n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xyp n SER 42 N -2.94 0.10 0.00 6.41 3.41 -0.52 -4.62 113.62 115.46 1xyp n SER 42 Ca -0.21 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 1xyp n SER 42 Cb 0.65 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1xyp n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xyp n GLY 43 N 1.67 3.76 3.76 5.00 0.00 -1.25 -3.73 105.19 114.41 1xyp n GLY 43 Ca 0.06 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1xyp n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xyp s ASN 44 N 0.13 6.23 0.11 1.61 3.04 -1.26 -1.16 114.94 123.64 1xyp s ASN 44 Ca 0.00 0.28 -0.11 0.00 0.04 0.00 0.00 52.86 53.07 1xyp s ASN 44 Cb 0.00 -2.08 0.01 0.00 -1.54 0.00 0.00 41.25 37.64 1xyp s ASN 44 CO 0.00 0.23 0.27 0.72 -3.04 0.00 0.00 177.10 175.29 1xyp s PHE 45 N 0.03 0.07 -0.12 0.43 -0.12 -0.84 -1.25 117.98 116.18 1xyp s PHE 45 Ca 0.10 -0.46 -0.06 0.00 -0.05 0.00 0.00 56.93 56.45 1xyp s PHE 45 Cb -0.11 0.05 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1xyp s PHE 45 CO -0.01 -0.62 0.28 0.08 -0.05 0.00 0.00 175.22 174.91 1xyp s VAL 46 N -3.86 -0.10 -0.03 -2.49 1.01 -0.26 -1.70 120.40 112.97 1xyp s VAL 46 Ca 0.06 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 1xyp s VAL 46 Cb 0.04 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 36.01 1xyp s VAL 46 CO -0.10 0.06 0.41 -0.83 0.00 0.00 0.00 175.10 174.65 1xyp s GLY 47 N 1.48 -0.27 0.00 4.51 0.00 -0.80 -0.56 107.32 111.67 1xyp s GLY 47 Ca -0.08 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1xyp s GLY 47 CO -0.09 0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1xyp n GLY 48 N 1.21 0.12 3.54 0.20 0.00 -0.77 -1.25 105.19 108.23 1xyp n GLY 48 Ca -0.21 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 1xyp n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xyp s LYS 49 N -2.00 1.93 0.00 1.61 1.02 -1.15 -1.99 119.74 119.16 1xyp s LYS 49 Ca 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.45 1xyp s LYS 49 Cb 0.00 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.34 1xyp s LYS 49 CO 0.00 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 1xyp n GLY 50 N -0.49 -0.48 3.19 -3.33 0.00 0.26 -1.24 105.19 103.10 1xyp n GLY 50 Ca -0.07 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1xyp n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xyp s TRP 51 N 0.00 1.04 -0.28 1.61 0.51 0.25 -1.72 118.94 120.36 1xyp s TRP 51 Ca 0.00 -0.76 0.01 0.00 -2.12 0.00 0.00 56.10 53.23 1xyp s TRP 51 Cb 0.00 -0.57 0.16 0.00 -0.81 0.00 0.00 33.47 32.25 1xyp s TRP 51 CO 0.00 -0.03 0.43 -1.14 -0.51 0.00 0.00 176.95 175.70 1xyp s GLN 52 N -3.33 0.42 0.55 4.98 2.00 -1.26 -0.90 119.66 122.12 1xyp s GLN 52 Ca 0.10 0.33 -0.03 0.00 -2.00 0.00 0.00 55.36 53.75 1xyp s GLN 52 Cb 0.01 -0.24 0.01 0.00 0.80 0.00 0.00 33.01 33.59 1xyp s GLN 52 CO -0.01 -0.91 0.83 -1.25 -0.50 0.00 0.00 175.29 173.44 1xyp s PRO 53 N 2.59 2.86 0.55 1.67 0.04 -1.26 -5.04 135.00 136.41 1xyp s PRO 53 Ca 0.11 -0.26 -0.06 0.00 0.04 0.00 0.00 61.00 60.83 1xyp s PRO 53 Cb -0.13 -2.37 0.12 0.00 0.04 0.00 0.00 34.50 32.16 1xyp s PRO 53 CO -0.26 -0.62 0.75 0.41 0.04 0.00 0.00 177.00 177.32 1xyp n GLY 54 N -2.43 -0.56 3.30 0.56 0.00 -0.00 -4.87 105.19 101.18 1xyp n GLY 54 Ca 0.04 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 1xyp n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyp s THR 55 N -2.43 0.63 -2.08 2.61 -4.23 -1.26 -4.78 115.64 104.10 1xyp s THR 55 Ca 0.45 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.10 1xyp s THR 55 Cb -0.02 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.71 1xyp s THR 55 CO 0.31 -0.15 1.35 0.29 -0.54 0.00 0.00 174.62 175.88 1xyp n LYS 56 N -0.40 1.82 -0.38 3.99 5.02 -1.26 -3.94 118.16 123.01 1xyp n LYS 56 Ca -0.02 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.00 1xyp n LYS 56 Cb 0.65 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1xyp n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xyp n ASN 57 N 0.51 0.00 -4.77 4.39 0.23 -1.26 -3.86 115.26 110.50 1xyp n ASN 57 Ca 0.14 -1.64 -0.41 0.00 -0.53 0.00 0.00 54.58 52.14 1xyp n ASN 57 Cb 0.32 -0.13 -0.02 0.00 -2.08 0.00 0.00 39.78 37.87 1xyp n ASN 57 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1xyp s LYS 58 N 0.00 4.38 -0.32 -3.83 2.20 -1.25 -4.72 119.74 116.19 1xyp s LYS 58 Ca 0.00 2.18 -0.08 0.00 -0.36 0.00 0.00 55.97 57.71 1xyp s LYS 58 Cb 0.00 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1xyp s LYS 58 CO 0.00 -0.17 0.12 0.08 -0.36 0.00 0.00 175.35 175.02 1xyp s VAL 59 N -1.04 4.15 -0.18 4.02 1.01 -1.26 -1.88 120.40 125.22 1xyp s VAL 59 Ca 0.49 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1xyp s VAL 59 Cb -0.39 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1xyp s VAL 59 CO 0.51 -0.04 0.13 -0.63 0.00 0.00 0.00 175.10 175.07 1xyp s ILE 60 N 1.51 5.43 -0.09 2.22 1.01 0.17 -4.92 121.20 126.53 1xyp s ILE 60 Ca 0.02 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.86 1xyp s ILE 60 Cb -0.18 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1xyp s ILE 60 CO 0.04 0.48 -0.06 0.20 0.00 0.00 0.00 174.94 175.59 1xyp s ASN 61 N 0.07 4.66 0.01 3.58 0.01 -0.55 -0.17 114.94 122.56 1xyp s ASN 61 Ca 0.10 -0.06 -0.09 0.00 -0.71 0.00 0.00 52.86 52.10 1xyp s ASN 61 Cb -0.11 -1.35 0.00 0.00 0.41 0.00 0.00 41.25 40.20 1xyp s ASN 61 CO -0.01 0.31 0.17 0.72 -1.51 0.00 0.00 177.10 176.78 1xyp s PHE 62 N -0.46 0.03 0.09 2.20 -0.71 -0.56 -1.59 117.98 116.97 1xyp s PHE 62 Ca 0.07 -0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.59 1xyp s PHE 62 Cb -0.12 -0.03 0.06 0.00 -1.21 0.00 0.00 43.02 41.72 1xyp s PHE 62 CO 0.02 -0.33 0.57 -1.54 -1.34 0.00 0.00 175.22 172.60 1xyp s SER 63 N -1.57 -0.51 0.00 1.98 1.04 -0.68 -0.94 113.70 113.02 1xyp s SER 63 Ca -0.12 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1xyp s SER 63 Cb -0.06 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1xyp s SER 63 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1xyp n GLY 64 N 0.08 0.56 3.59 7.32 0.00 -1.20 -0.82 105.19 114.73 1xyp n GLY 64 Ca -0.18 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1xyp n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyp s SER 65 N -4.00 5.08 -0.19 1.61 1.04 -0.43 -4.73 113.70 112.09 1xyp s SER 65 Ca 0.00 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 1xyp s SER 65 Cb 0.00 -1.66 0.05 0.00 0.10 0.00 0.00 66.02 64.51 1xyp s SER 65 CO 0.00 0.26 -0.01 -0.47 0.98 0.00 0.00 173.24 174.00 1xyp s TYR 66 N -0.17 1.55 -0.54 5.02 5.04 -1.26 -0.83 117.35 126.16 1xyp s TYR 66 Ca 0.04 -1.11 0.05 0.00 -2.44 0.00 0.00 57.07 53.61 1xyp s TYR 66 Cb -0.13 -1.24 0.20 0.00 0.35 0.00 0.00 41.96 41.14 1xyp s TYR 66 CO 0.02 -0.64 0.49 0.09 -1.34 0.00 0.00 175.55 174.17 1xyp n ASN 67 N 4.91 1.46 -4.78 4.32 4.13 0.00 -5.02 115.26 120.28 1xyp n ASN 67 Ca -0.10 -2.88 -0.37 0.00 1.68 0.00 0.00 54.58 52.91 1xyp n ASN 67 Cb 0.47 -0.65 -0.04 0.00 -1.54 0.00 0.00 39.78 38.01 1xyp n ASN 67 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xyp s PRO 68 N -1.07 4.19 -0.56 3.52 0.04 -1.26 -1.85 135.00 138.01 1xyp s PRO 68 Ca 0.32 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1xyp s PRO 68 Cb 0.05 -2.57 0.20 0.00 0.04 0.00 0.00 34.50 32.22 1xyp s PRO 68 CO -0.14 -0.12 0.50 -1.71 0.04 0.00 0.00 177.00 175.57 1xyp n ASN 69 N -0.02 1.69 0.00 6.66 5.15 0.14 -4.92 115.26 123.96 1xyp n ASN 69 Ca 0.05 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 51.10 1xyp n ASN 69 Cb 0.49 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1xyp n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xyp n GLY 70 N 1.95 0.34 3.62 8.20 0.00 -1.26 -2.25 105.19 115.79 1xyp n GLY 70 Ca 0.25 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1xyp n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xyp s ASN 71 N -4.00 6.53 -0.06 1.61 3.04 -1.26 -2.18 114.94 118.62 1xyp s ASN 71 Ca 0.00 1.20 -0.30 0.00 0.04 0.00 0.00 52.86 53.81 1xyp s ASN 71 Cb 0.00 -2.54 0.11 0.00 -1.54 0.00 0.00 41.25 37.28 1xyp s ASN 71 CO 0.00 -1.20 0.93 -0.55 -3.04 0.00 0.00 177.10 173.24 1xyp s SER 72 N 3.38 -0.36 0.03 -4.21 0.15 -1.26 -1.35 113.70 110.08 1xyp s SER 72 Ca 0.61 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 57.38 1xyp s SER 72 Cb -0.18 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1xyp s SER 72 CO 0.27 -0.52 -0.01 -0.31 1.20 0.00 0.00 173.24 173.87 1xyp s TYR 73 N -2.45 0.35 -0.20 3.44 2.02 -0.16 -0.56 117.35 119.79 1xyp s TYR 73 Ca 0.03 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 1xyp s TYR 73 Cb -0.01 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.32 1xyp s TYR 73 CO -0.05 -0.29 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.31 1xyp s LEU 74 N -2.14 2.38 0.24 -1.29 2.96 0.06 -1.01 118.68 119.89 1xyp s LEU 74 Ca -0.05 -0.83 -0.16 0.00 -0.22 0.00 0.00 54.13 52.87 1xyp s LEU 74 Cb -0.02 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.27 1xyp s LEU 74 CO -0.05 -0.07 0.54 -0.94 -1.32 0.00 0.00 176.35 174.51 1xyp s SER 75 N 1.29 -0.16 -0.16 3.68 1.04 -0.43 -0.84 113.70 118.13 1xyp s SER 75 Ca 0.01 -0.77 -0.22 0.00 0.48 0.00 0.00 55.95 55.44 1xyp s SER 75 Cb -0.15 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1xyp s SER 75 CO -0.10 -1.17 0.68 -0.69 0.98 0.00 0.00 173.24 172.94 1xyp s VAL 76 N -3.97 5.00 -0.01 5.02 1.01 -0.10 -0.19 120.40 127.16 1xyp s VAL 76 Ca 0.17 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.51 1xyp s VAL 76 Cb -0.02 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1xyp s VAL 76 CO 0.06 0.13 -0.11 -0.47 0.00 0.00 0.00 175.10 174.72 1xyp s TYR 77 N 1.66 0.99 0.06 5.22 5.04 0.99 -0.76 117.35 130.56 1xyp s TYR 77 Ca 0.33 -0.19 -0.10 0.00 -2.44 0.00 0.00 57.07 54.66 1xyp s TYR 77 Cb -0.16 -0.65 0.04 0.00 0.35 0.00 0.00 41.96 41.54 1xyp s TYR 77 CO 0.12 -0.03 0.49 0.41 -1.34 0.00 0.00 175.55 175.20 1xyp n GLY 78 N 2.86 0.86 3.11 8.97 0.00 -0.99 -0.67 105.19 119.32 1xyp n GLY 78 Ca -0.14 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 1xyp n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xyp s TRP 79 N -3.86 0.61 0.08 1.61 0.52 -1.01 -1.50 118.94 115.39 1xyp s TRP 79 Ca 0.11 -1.07 0.03 0.00 0.02 0.00 0.00 56.10 55.19 1xyp s TRP 79 Cb -0.01 -0.42 -0.03 0.00 -1.15 0.00 0.00 33.47 31.86 1xyp s TRP 79 CO 0.02 -0.37 -0.10 0.45 0.02 0.00 0.00 176.95 176.98 1xyp s SER 80 N -2.95 1.28 0.07 2.95 0.15 -0.35 -0.98 113.70 113.87 1xyp s SER 80 Ca 0.10 -0.73 0.08 0.00 0.70 0.00 0.00 55.95 56.10 1xyp s SER 80 Cb 0.08 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1xyp s SER 80 CO -0.08 -0.24 -0.22 -0.13 1.20 0.00 0.00 173.24 173.77 1xyp s ARG 81 N -2.42 1.37 -0.85 5.44 0.52 0.57 -1.92 118.95 121.66 1xyp s ARG 81 Ca 0.01 -1.08 -0.04 0.00 -0.52 0.00 0.00 55.73 54.10 1xyp s ARG 81 Cb -0.05 -1.59 -0.00 0.00 0.52 0.00 0.00 34.95 33.83 1xyp s ARG 81 CO -0.00 0.39 0.67 0.09 0.02 0.00 0.00 175.30 176.47 1xyp n ASN 82 N 1.50 -6.02 -4.85 0.23 3.02 -1.26 -1.01 115.26 106.87 1xyp n ASN 82 Ca -0.18 -0.65 -0.32 0.00 -0.03 0.00 0.00 54.58 53.40 1xyp n ASN 82 Cb 0.53 -3.32 -0.02 0.00 -0.61 0.00 0.00 39.78 36.36 1xyp n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xyp s PRO 83 N -4.43 3.86 -0.29 3.52 0.04 -1.26 -3.97 135.00 132.47 1xyp s PRO 83 Ca 0.09 0.92 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 1xyp s PRO 83 Cb -0.03 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1xyp s PRO 83 CO 0.84 -0.34 1.16 -1.17 0.04 0.00 0.00 177.00 177.52 1xyp s LEU 84 N -4.31 3.95 -0.01 -3.56 2.96 -1.26 -4.57 118.68 111.89 1xyp s LEU 84 Ca 0.58 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 1xyp s LEU 84 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1xyp s LEU 84 CO 0.36 -0.91 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.85 1xyp s ILE 85 N 3.82 0.05 -0.15 6.68 -1.09 -0.81 -3.84 121.20 125.87 1xyp s ILE 85 Ca 0.49 0.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.91 1xyp s ILE 85 Cb -0.15 -0.08 -0.02 0.00 -1.58 0.00 0.00 42.46 40.64 1xyp s ILE 85 CO 0.17 0.04 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.12 1xyp s GLU 86 N 0.23 3.44 0.11 2.79 2.12 -0.98 -1.21 118.70 125.20 1xyp s GLU 86 Ca -0.02 -0.64 0.05 0.00 0.36 0.00 0.00 54.97 54.72 1xyp s GLU 86 Cb -0.03 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 1xyp s GLU 86 CO -0.01 0.17 -0.12 1.52 -0.54 0.00 0.00 175.26 176.28 1xyp s TYR 87 N 0.49 1.23 -0.02 5.30 -0.85 -0.56 -1.17 117.35 121.76 1xyp s TYR 87 Ca -0.07 -0.61 0.01 0.00 -0.52 0.00 0.00 57.07 55.88 1xyp s TYR 87 Cb -0.15 -0.65 0.02 0.00 0.38 0.00 0.00 41.96 41.55 1xyp s TYR 87 CO 0.04 0.07 -0.02 0.71 -1.52 0.00 0.00 175.55 174.83 1xyp s TYR 88 N -2.32 0.39 -0.50 -3.49 1.51 -0.08 -2.35 117.35 110.51 1xyp s TYR 88 Ca 0.07 -0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1xyp s TYR 88 Cb -0.04 -0.38 0.13 0.00 -0.11 0.00 0.00 41.96 41.56 1xyp s TYR 88 CO 0.02 -0.10 0.24 0.42 -1.11 0.00 0.00 175.55 175.02 1xyp s ILE 89 N 0.62 2.48 -0.34 2.71 1.01 0.07 -1.01 121.20 126.74 1xyp s ILE 89 Ca -0.07 -3.21 -0.29 0.00 0.00 0.00 0.00 60.65 57.09 1xyp s ILE 89 Cb -0.10 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.66 1xyp s ILE 89 CO -0.01 -0.79 1.17 -0.69 0.00 0.00 0.00 174.94 174.62 1xyp s VAL 90 N -0.17 4.32 -0.17 2.92 1.01 0.34 -0.93 120.40 127.72 1xyp s VAL 90 Ca 0.17 1.48 0.20 0.00 0.00 0.00 0.00 61.98 63.83 1xyp s VAL 90 Cb -0.25 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.67 1xyp s VAL 90 CO -0.01 -0.58 0.87 -0.62 0.00 0.00 0.00 175.10 174.77 1xyp n GLU 91 N 7.22 0.62 -3.54 2.72 -0.58 -0.02 -1.04 120.64 126.01 1xyp n GLU 91 Ca 0.13 0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.87 1xyp n GLU 91 Cb 0.47 -1.78 -0.04 0.00 -0.57 0.00 0.00 31.44 29.52 1xyp n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1xyp s ASN 92 N -5.41 -0.43 0.21 1.62 3.84 -1.09 -2.00 114.94 111.68 1xyp s ASN 92 Ca -0.02 0.34 -0.16 0.00 0.21 0.00 0.00 52.86 53.22 1xyp s ASN 92 Cb 0.10 0.38 0.02 0.00 -0.55 0.00 0.00 41.25 41.19 1xyp s ASN 92 CO 0.81 -0.48 0.50 0.72 -2.79 0.00 0.00 177.10 175.86 1xyp s PHE 93 N -1.75 0.03 0.00 0.43 -0.12 -1.26 -0.76 117.98 114.55 1xyp s PHE 93 Ca -0.01 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1xyp s PHE 93 Cb -0.01 0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 1xyp s PHE 93 CO -0.00 -0.93 0.00 0.41 -0.05 0.00 0.00 175.22 174.65 1xyp n GLY 94 N -0.34 0.75 0.23 1.99 0.00 0.27 -4.93 105.19 103.16 1xyp n GLY 94 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1xyp n GLY 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xyp h THR 95 N 0.00 0.00 -3.31 2.61 1.35 -1.73 -3.45 112.91 108.39 1xyp h THR 95 Ca 0.00 -0.89 -0.66 0.00 -0.55 0.00 0.00 66.41 64.31 1xyp h THR 95 Cb 0.00 1.89 -0.29 0.00 -1.73 0.00 0.00 68.15 68.01 1xyp h THR 95 CO 0.00 0.00 -0.80 -0.47 -0.25 0.00 0.00 175.52 174.00 1xyp s TYR 96 N -3.29 2.75 -0.33 4.73 5.04 -1.26 -5.00 117.35 120.00 1xyp s TYR 96 Ca 0.06 -0.89 -0.29 0.00 -2.44 0.00 0.00 57.07 53.51 1xyp s TYR 96 Cb 0.06 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.54 1xyp s TYR 96 CO 0.64 -0.37 1.17 1.21 -1.34 0.00 0.00 175.55 176.87 1xyp s ASN 97 N 0.56 6.80 0.66 4.32 3.84 -1.26 -4.79 114.94 125.07 1xyp s ASN 97 Ca -0.10 1.06 0.43 0.00 0.21 0.00 0.00 52.86 54.46 1xyp s ASN 97 Cb -0.16 -2.54 2.36 0.00 -0.55 0.00 0.00 41.25 40.36 1xyp s ASN 97 CO 0.04 -0.99 2.36 1.55 -2.79 0.00 0.00 177.10 177.27 1xyp h PRO 98 N 8.67 0.00 -0.00 0.43 0.13 -1.98 -2.26 132.00 136.99 1xyp h PRO 98 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1xyp h PRO 98 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xyp h PRO 98 CO 1.04 0.00 -0.00 -1.13 -0.23 0.00 0.00 178.00 177.68 1xyp n SER 99 N -3.17 0.14 -4.68 1.44 3.41 -1.26 -4.86 113.62 104.63 1xyp n SER 99 Ca -0.03 -0.92 -0.45 0.00 -0.26 0.00 0.00 58.87 57.21 1xyp n SER 99 Cb 0.07 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1xyp n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xyp n THR 100 N -0.94 0.35 0.00 6.66 -1.04 -0.85 -1.40 114.28 117.06 1xyp n THR 100 Ca 0.22 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1xyp n THR 100 Cb 0.15 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1xyp n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xyp n GLY 101 N 4.06 3.04 3.89 3.41 0.00 -1.26 -5.05 105.19 113.29 1xyp n GLY 101 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1xyp n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyp s ALA 102 N -2.30 3.28 -0.19 4.61 0.00 -0.49 -5.03 121.76 121.64 1xyp s ALA 102 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.41 1xyp s ALA 102 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 1xyp s ALA 102 CO 0.00 -0.51 0.59 0.99 0.00 0.00 0.00 175.76 176.84 1xyp s THR 103 N -2.93 5.05 -0.05 0.00 2.01 -0.75 -4.86 115.64 114.12 1xyp s THR 103 Ca 0.51 1.12 -0.30 0.00 0.31 0.00 0.00 61.69 63.33 1xyp s THR 103 Cb -0.11 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1xyp s THR 103 CO 0.48 0.15 1.14 -0.75 -0.69 0.00 0.00 174.62 174.95 1xyp s LYS 104 N 1.70 4.39 -0.18 4.92 2.20 -1.26 -1.11 119.74 130.40 1xyp s LYS 104 Ca 0.28 1.60 0.18 0.00 -0.36 0.00 0.00 55.97 57.67 1xyp s LYS 104 Cb -0.16 -3.52 -0.26 0.00 -1.51 0.00 0.00 37.83 32.38 1xyp s LYS 104 CO 0.11 -0.36 0.11 1.28 -0.36 0.00 0.00 175.35 176.12 1xyp n LEU 105 N 4.91 0.00 0.00 5.43 4.77 0.79 -4.96 117.00 127.94 1xyp n LEU 105 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1xyp n LEU 105 Cb 0.47 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1xyp n LEU 105 CO 0.54 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1xyp n GLY 106 N 1.72 -0.55 3.03 -0.72 0.00 -1.20 -5.01 105.19 102.47 1xyp n GLY 106 Ca -0.30 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1xyp n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xyp s GLU 107 N -1.14 0.39 -0.02 1.61 2.02 -1.26 -0.35 118.70 119.95 1xyp s GLU 107 Ca 0.00 -0.54 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 1xyp s GLU 107 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1xyp s GLU 107 CO 0.00 -0.08 0.09 0.54 0.02 0.00 0.00 175.26 175.83 1xyp s VAL 108 N -1.50 0.04 -0.21 2.63 0.11 -0.58 -4.97 120.40 115.93 1xyp s VAL 108 Ca -0.15 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.46 1xyp s VAL 108 Cb -0.09 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1xyp s VAL 108 CO -0.00 -0.19 0.11 -0.89 -3.33 0.00 0.00 175.10 170.79 1xyp s THR 109 N -0.62 5.07 -0.24 5.04 2.01 -1.26 -0.14 115.64 125.50 1xyp s THR 109 Ca -0.07 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1xyp s THR 109 Cb -0.04 -3.33 0.06 0.00 0.01 0.00 0.00 72.50 69.20 1xyp s THR 109 CO 0.00 0.41 0.63 -0.55 -0.69 0.00 0.00 174.62 174.42 1xyp s SER 110 N 0.71 -0.67 -1.49 3.53 0.15 -0.03 -4.97 113.70 110.93 1xyp s SER 110 Ca 0.06 1.28 -0.09 0.00 0.70 0.00 0.00 55.95 57.89 1xyp s SER 110 Cb -0.13 1.28 0.06 0.00 -1.71 0.00 0.00 66.02 65.53 1xyp s SER 110 CO 0.02 -0.22 0.79 0.47 1.20 0.00 0.00 173.24 175.49 1xyp n ASP 111 N 2.87 -2.93 0.00 5.45 8.00 -1.26 -2.40 116.55 126.28 1xyp n ASP 111 Ca -0.14 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1xyp n ASP 111 Cb 0.56 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 1xyp n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xyp n GLY 112 N -1.67 0.46 3.41 0.44 0.00 -1.26 -4.99 105.19 101.58 1xyp n GLY 112 Ca -0.09 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1xyp n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xyp s SER 113 N -2.41 -0.47 0.24 1.61 0.15 -1.01 -4.97 113.70 106.85 1xyp s SER 113 Ca 0.00 0.24 -0.22 0.00 0.70 0.00 0.00 55.95 56.67 1xyp s SER 113 Cb 0.00 0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 1xyp s SER 113 CO 0.00 -0.71 0.79 -0.69 1.20 0.00 0.00 173.24 173.82 1xyp s VAL 114 N -2.31 4.46 -0.02 4.45 1.01 -1.26 -0.85 120.40 125.87 1xyp s VAL 114 Ca -0.06 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1xyp s VAL 114 Cb -0.01 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1xyp s VAL 114 CO -0.01 0.22 -0.20 -0.31 0.00 0.00 0.00 175.10 174.80 1xyp s TYR 115 N -1.51 1.86 -0.09 5.22 1.51 0.80 -1.59 117.35 123.55 1xyp s TYR 115 Ca 0.44 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.98 1xyp s TYR 115 Cb -0.18 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1xyp s TYR 115 CO 0.22 -0.06 0.33 -0.51 -1.11 0.00 0.00 175.55 174.42 1xyp s ASP 116 N -0.40 6.60 -0.15 2.29 1.01 -0.69 -1.53 116.67 123.81 1xyp s ASP 116 Ca 0.06 0.71 -0.06 0.00 0.71 0.00 0.00 52.55 53.96 1xyp s ASP 116 Cb -0.09 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1xyp s ASP 116 CO -0.00 0.23 0.08 -0.63 0.21 0.00 0.00 175.17 175.05 1xyp s ILE 117 N -0.37 4.93 0.15 0.77 1.01 0.52 -0.75 121.20 127.45 1xyp s ILE 117 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.85 1xyp s ILE 117 Cb -0.14 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1xyp s ILE 117 CO 0.08 0.53 0.05 -0.31 0.00 0.00 0.00 174.94 175.30 1xyp s TYR 118 N -0.29 0.96 -0.10 3.97 1.51 -0.48 -0.15 117.35 122.77 1xyp s TYR 118 Ca 0.09 -1.20 -0.18 0.00 -1.01 0.00 0.00 57.07 54.77 1xyp s TYR 118 Cb -0.12 -0.54 0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1xyp s TYR 118 CO 0.01 -0.46 0.44 -0.98 -1.11 0.00 0.00 175.55 173.45 1xyp s ARG 119 N -4.03 0.66 -0.02 -0.62 1.70 -0.27 -1.34 118.95 115.04 1xyp s ARG 119 Ca 0.25 0.29 -0.12 0.00 -0.47 0.00 0.00 55.73 55.68 1xyp s ARG 119 Cb 0.07 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 1xyp s ARG 119 CO 0.03 -0.14 0.26 -0.08 -1.08 0.00 0.00 175.30 174.29 1xyp s THR 120 N -0.51 0.06 -0.15 4.99 -1.32 -0.68 -1.81 115.64 116.22 1xyp s THR 120 Ca -0.06 -0.50 -0.12 0.00 -1.21 0.00 0.00 61.69 59.79 1xyp s THR 120 Cb -0.03 -0.55 -0.05 0.00 -1.51 0.00 0.00 72.50 70.36 1xyp s THR 120 CO 0.03 -0.28 0.25 -1.58 -2.21 0.00 0.00 174.62 170.84 1xyp s GLN 121 N -1.25 4.13 -0.30 7.08 0.74 -1.26 -0.20 119.66 128.59 1xyp s GLN 121 Ca -0.13 0.03 -0.10 0.00 0.05 0.00 0.00 55.36 55.21 1xyp s GLN 121 Cb -0.06 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 1xyp s GLN 121 CO 0.03 0.35 0.16 1.03 -0.55 0.00 0.00 175.29 176.31 1xyp s ARG 122 N 0.16 3.49 -0.26 1.67 1.81 0.46 -4.97 118.95 121.31 1xyp s ARG 122 Ca 0.15 -0.62 -0.11 0.00 -1.72 0.00 0.00 55.73 53.43 1xyp s ARG 122 Cb -0.13 -3.59 -0.05 0.00 -0.45 0.00 0.00 34.95 30.73 1xyp s ARG 122 CO 0.03 -0.36 0.17 0.08 -0.68 0.00 0.00 175.30 174.54 1xyp s VAL 123 N 1.65 5.30 -1.35 3.52 1.01 -1.26 -1.61 120.40 127.66 1xyp s VAL 123 Ca 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1xyp s VAL 123 Cb -0.17 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1xyp s VAL 123 CO 0.07 0.30 0.62 0.59 0.00 0.00 0.00 175.10 176.68 1xyp n ASN 124 N 4.69 -1.06 -4.75 3.32 3.02 -0.85 -4.96 115.26 114.66 1xyp n ASN 124 Ca -0.15 -0.88 -0.23 0.00 -0.03 0.00 0.00 54.58 53.29 1xyp n ASN 124 Cb 0.52 -3.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.93 1xyp n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xyp s GLN 125 N -6.21 2.70 0.59 3.52 -1.52 -0.13 -4.69 119.66 113.92 1xyp s GLN 125 Ca 0.04 -1.12 -0.20 0.00 -1.95 0.00 0.00 55.36 52.13 1xyp s GLN 125 Cb -0.02 -2.45 -0.03 0.00 -0.22 0.00 0.00 33.01 30.28 1xyp s GLN 125 CO 0.84 0.41 1.34 -2.14 -0.25 0.00 0.00 175.29 175.49 1xyp s PRO 126 N -3.56 2.90 0.33 2.91 0.02 -1.26 -1.07 135.00 135.27 1xyp s PRO 126 Ca 0.31 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 1xyp s PRO 126 Cb -0.08 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.37 1xyp s PRO 126 CO 0.23 -1.36 0.64 -1.54 -0.33 0.00 0.00 177.00 174.63 1xyp s SER 127 N -1.11 0.20 0.00 2.53 1.04 -0.90 -4.81 113.70 110.65 1xyp s SER 127 Ca 0.76 -1.12 0.09 0.00 0.48 0.00 0.00 55.95 56.16 1xyp s SER 127 Cb -0.40 0.73 0.44 0.00 0.10 0.00 0.00 66.02 66.90 1xyp s SER 127 CO 0.45 -1.43 1.19 2.30 0.98 0.00 0.00 173.24 176.73 1xyp n ILE 128 N -0.50 0.94 -0.80 -1.02 -5.35 -1.26 -1.80 119.36 109.57 1xyp n ILE 128 Ca -0.04 0.23 0.06 0.00 -0.27 0.00 0.00 62.75 62.73 1xyp n ILE 128 Cb 0.61 -1.08 0.08 0.00 -1.74 0.00 0.00 39.64 37.50 1xyp n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1xyp n ILE 129 N -1.33 1.37 0.00 7.28 -5.35 -1.26 -5.12 119.36 114.95 1xyp n ILE 129 Ca 0.04 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 1xyp n ILE 129 Cb 0.08 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 1xyp n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xyp n GLY 130 N -0.96 -1.99 3.71 3.28 0.00 -0.74 -4.93 105.19 103.56 1xyp n GLY 130 Ca 0.09 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1xyp n GLY 130 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xyp s THR 131 N -0.25 2.46 0.34 2.61 -1.32 -1.26 -2.11 115.64 116.11 1xyp s THR 131 Ca 0.00 0.22 -0.14 0.00 -1.21 0.00 0.00 61.69 60.56 1xyp s THR 131 Cb 0.00 -3.14 0.03 0.00 -1.51 0.00 0.00 72.50 67.88 1xyp s THR 131 CO 0.00 0.01 0.68 0.00 -2.21 0.00 0.00 174.62 173.10 1xyp s ALA 132 N 1.71 -0.51 -0.15 11.08 0.00 -0.23 -4.90 121.76 128.76 1xyp s ALA 132 Ca 0.75 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1xyp s ALA 132 Cb -0.46 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 1xyp s ALA 132 CO 0.33 -0.95 -0.15 0.99 0.00 0.00 0.00 175.76 175.98 1xyp s THR 133 N -2.99 2.72 0.19 0.00 2.01 -1.26 -0.95 115.64 115.37 1xyp s THR 133 Ca 0.18 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1xyp s THR 133 Cb -0.04 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.34 1xyp s THR 133 CO 0.12 0.51 0.46 0.72 -0.69 0.00 0.00 174.62 175.74 1xyp s PHE 134 N 0.79 0.06 0.17 4.92 -0.71 -0.63 -4.97 117.98 117.60 1xyp s PHE 134 Ca -0.05 -0.41 -0.10 0.00 -1.04 0.00 0.00 56.93 55.32 1xyp s PHE 134 Cb -0.15 0.27 -0.07 0.00 -1.21 0.00 0.00 43.02 41.86 1xyp s PHE 134 CO 0.00 -0.88 0.50 0.71 -1.34 0.00 0.00 175.22 174.21 1xyp s TYR 135 N -3.91 3.51 -0.20 3.49 2.02 -1.25 -0.40 117.35 120.61 1xyp s TYR 135 Ca 0.12 0.88 0.01 0.00 -0.37 0.00 0.00 57.07 57.72 1xyp s TYR 135 Cb -0.00 -2.25 0.03 0.00 -0.40 0.00 0.00 41.96 39.34 1xyp s TYR 135 CO -0.01 0.38 -0.18 -1.14 -1.57 0.00 0.00 175.55 173.03 1xyp s GLN 136 N -2.39 2.85 -0.04 -0.62 0.74 0.72 -2.31 119.66 118.61 1xyp s GLN 136 Ca 0.41 -0.93 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 1xyp s GLN 136 Cb -0.13 -2.65 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 1xyp s GLN 136 CO 0.20 -0.28 0.11 0.71 -0.55 0.00 0.00 175.29 175.48 1xyp s TYR 137 N 1.26 3.41 0.02 1.67 1.51 -0.32 -1.68 117.35 123.22 1xyp s TYR 137 Ca 0.02 0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.43 1xyp s TYR 137 Cb -0.14 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1xyp s TYR 137 CO -0.11 0.61 -0.09 -1.58 -1.11 0.00 0.00 175.55 173.27 1xyp s TRP 138 N -1.16 0.77 -0.18 2.71 0.52 -0.45 -0.90 118.94 120.26 1xyp s TRP 138 Ca 0.21 -0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.01 1xyp s TRP 138 Cb -0.12 -0.47 0.05 0.00 -1.15 0.00 0.00 33.47 31.78 1xyp s TRP 138 CO 0.12 -0.02 0.00 -1.12 0.02 0.00 0.00 176.95 175.95 1xyp s SER 139 N -0.90 2.83 -0.25 2.95 0.01 -0.18 -1.39 113.70 116.77 1xyp s SER 139 Ca -0.02 -0.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.45 1xyp s SER 139 Cb -0.06 -0.71 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 1xyp s SER 139 CO 0.00 -0.26 0.03 -0.69 0.41 0.00 0.00 173.24 172.73 1xyp s VAL 140 N 1.77 3.82 0.16 3.43 1.01 0.07 -0.50 120.40 130.16 1xyp s VAL 140 Ca -0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 1xyp s VAL 140 Cb -0.16 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 1xyp s VAL 140 CO -0.07 0.30 1.45 -0.60 0.00 0.00 0.00 175.10 176.17 1xyp s ARG 141 N 1.52 4.28 0.06 2.72 3.52 -0.21 -1.70 118.95 129.15 1xyp s ARG 141 Ca 0.05 2.21 -0.16 0.00 -0.13 0.00 0.00 55.73 57.70 1xyp s ARG 141 Cb -0.15 -3.19 -0.19 0.00 -1.56 0.00 0.00 34.95 29.86 1xyp s ARG 141 CO 0.00 -0.47 1.23 0.00 -0.81 0.00 0.00 175.30 175.25 1xyp h ARG 142 N 6.35 0.60 -4.66 5.12 3.08 -1.64 -3.40 114.38 119.83 1xyp h ARG 142 Ca -0.43 -0.52 -0.71 0.00 0.07 0.00 0.00 59.98 58.39 1xyp h ARG 142 Cb 1.21 0.12 -0.20 0.00 0.08 0.00 0.00 29.97 31.18 1xyp h ARG 142 CO 0.86 1.14 0.40 -0.80 -1.07 0.00 0.00 179.97 180.49 1xyp s ASN 143 N -6.86 6.48 0.48 7.04 0.01 -1.26 -5.04 114.94 115.79 1xyp s ASN 143 Ca -0.12 -1.92 -0.24 0.00 -0.71 0.00 0.00 52.86 49.88 1xyp s ASN 143 Cb 0.06 -2.32 -0.08 0.00 0.41 0.00 0.00 41.25 39.32 1xyp s ASN 143 CO 0.86 -0.99 1.24 1.41 -1.51 0.00 0.00 177.10 178.10 1xyp n HIS 144 N 5.95 1.94 -3.53 2.20 8.25 -1.26 -4.99 115.22 123.78 1xyp n HIS 144 Ca 0.08 0.48 -0.12 0.00 -0.26 0.00 0.00 57.72 57.90 1xyp n HIS 144 Cb 0.46 -2.33 -0.04 0.00 1.12 0.00 0.00 29.99 29.20 1xyp n HIS 144 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1xyp s ARG 145 N -2.43 1.16 -0.04 -0.41 1.70 -0.85 -5.02 118.95 113.05 1xyp s ARG 145 Ca 0.66 -0.52 0.06 0.00 -0.47 0.00 0.00 55.73 55.46 1xyp s ARG 145 Cb -0.48 0.53 0.10 0.00 -0.57 0.00 0.00 34.95 34.53 1xyp s ARG 145 CO 0.54 -0.47 1.03 0.43 -1.08 0.00 0.00 175.30 175.75 1xyp n SER 146 N -0.19 2.02 -3.65 -2.89 7.64 -1.26 -4.23 113.62 111.06 1xyp n SER 146 Ca -0.17 -2.33 -0.14 0.00 1.01 0.00 0.00 58.87 57.24 1xyp n SER 146 Cb 0.64 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 1xyp n SER 146 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1xyp s SER 147 N -1.59 -0.63 0.00 6.43 0.15 -1.26 -3.23 113.70 113.57 1xyp s SER 147 Ca 0.11 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1xyp s SER 147 Cb 0.09 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 1xyp s SER 147 CO 0.01 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1xyp n GLY 148 N 2.47 -1.00 3.06 9.45 0.00 -0.11 -4.99 105.19 114.07 1xyp n GLY 148 Ca -0.15 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 1xyp n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xyp s SER 149 N -4.00 1.91 -0.20 1.61 0.15 -1.26 -1.49 113.70 110.41 1xyp s SER 149 Ca 0.00 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 1xyp s SER 149 Cb 0.00 -0.75 0.01 0.00 -1.71 0.00 0.00 66.02 63.57 1xyp s SER 149 CO 0.00 0.08 -0.13 -0.69 1.20 0.00 0.00 173.24 173.70 1xyp s VAL 150 N 0.43 2.63 -0.67 4.45 1.01 0.77 -4.84 120.40 124.17 1xyp s VAL 150 Ca -0.11 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1xyp s VAL 150 Cb -0.14 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.16 1xyp s VAL 150 CO 0.03 0.44 0.86 0.21 0.00 0.00 0.00 175.10 176.65 1xyp s ASN 151 N 1.36 6.27 0.51 3.32 3.84 -1.26 -0.66 114.94 128.32 1xyp s ASN 151 Ca 0.04 -1.41 0.19 0.00 0.21 0.00 0.00 52.86 51.89 1xyp s ASN 151 Cb -0.14 -2.35 1.28 0.00 -0.55 0.00 0.00 41.25 39.49 1xyp s ASN 151 CO -0.08 -1.21 2.08 0.71 -2.79 0.00 0.00 177.10 175.81 1xyp h THR 152 N 5.89 0.90 -0.86 -5.21 1.35 -1.68 -2.50 112.91 110.79 1xyp h THR 152 Ca -0.21 -0.02 0.07 0.00 -0.55 0.00 0.00 66.41 65.70 1xyp h THR 152 Cb 1.07 0.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.28 1xyp h THR 152 CO 1.12 0.01 0.56 0.00 -0.25 0.00 0.00 175.52 176.96 1xyp h ALA 153 N 1.87 1.56 -0.63 6.62 0.00 -1.76 -1.14 119.26 125.78 1xyp h ALA 153 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xyp h ALA 153 Cb 0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xyp h ALA 153 CO -0.01 0.31 0.29 -0.91 0.00 0.00 0.00 179.25 178.93 1xyp h ASN 154 N 0.96 0.81 -0.00 0.00 2.35 -1.79 -0.18 115.58 117.72 1xyp h ASN 154 Ca 0.37 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.85 1xyp h ASN 154 Cb 0.22 -0.21 0.02 0.00 0.05 0.00 0.00 38.32 38.40 1xyp h ASN 154 CO -0.14 0.69 -0.74 0.45 -1.65 0.00 0.00 177.43 176.04 1xyp h HIS 155 N 0.89 0.75 -0.68 1.19 3.86 -1.44 -2.28 115.15 117.43 1xyp h HIS 155 Ca 0.22 -0.41 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1xyp h HIS 155 Cb 0.11 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1xyp h HIS 155 CO 0.01 1.23 0.35 0.74 0.86 0.00 0.00 177.93 181.12 1xyp h PHE 156 N 0.06 0.94 -0.13 2.45 0.04 -0.97 0.51 116.94 119.83 1xyp h PHE 156 Ca -0.09 -0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.49 1xyp h PHE 156 Cb 1.44 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 1xyp h PHE 156 CO 0.13 0.67 -0.61 -0.91 -0.60 0.00 0.00 178.31 177.00 1xyp h ASN 157 N 0.96 0.51 -0.30 2.17 2.35 -1.06 -0.41 115.58 119.79 1xyp h ASN 157 Ca 0.24 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1xyp h ASN 157 Cb 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1xyp h ASN 157 CO -0.03 0.99 -0.01 0.00 -1.65 0.00 0.00 177.43 176.73 1xyp h ALA 158 N 1.01 0.40 -0.72 -0.83 0.00 -0.81 -1.96 119.26 116.34 1xyp h ALA 158 Ca -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1xyp h ALA 158 Cb 1.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1xyp h ALA 158 CO 0.11 0.16 0.25 -1.49 0.00 0.00 0.00 179.25 178.28 1xyp h TRP 159 N 0.32 1.13 -0.06 0.00 6.55 -0.83 -1.91 115.95 121.15 1xyp h TRP 159 Ca 0.08 -0.10 -0.02 0.00 0.95 0.00 0.00 58.89 59.80 1xyp h TRP 159 Cb 0.45 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 1xyp h TRP 159 CO 0.04 0.88 -0.07 0.00 -1.05 0.00 0.00 178.44 178.24 1xyp h ALA 160 N 1.21 1.79 0.00 1.49 0.00 -0.84 0.18 119.26 123.08 1xyp h ALA 160 Ca 0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xyp h ALA 160 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xyp h ALA 160 CO -0.01 0.16 -0.20 1.96 0.00 0.00 0.00 179.25 181.16 1xyp h GLN 161 N 0.08 0.00 -0.63 0.00 7.50 -0.56 -2.36 115.11 119.13 1xyp h GLN 161 Ca 0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.17 1xyp h GLN 161 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1xyp h GLN 161 CO 0.01 0.20 0.00 1.04 -1.50 0.00 0.00 178.83 178.58 1xyp n GLN 162 N -3.52 3.12 -0.19 1.46 1.13 -0.00 -4.90 117.38 114.48 1xyp n GLN 162 Ca -0.01 -2.06 0.00 0.00 -1.94 0.00 0.00 57.00 53.00 1xyp n GLN 162 Cb 0.36 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.92 1xyp n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xyp n GLY 163 N 0.78 0.69 3.80 1.08 0.00 -0.89 -5.08 105.19 105.58 1xyp n GLY 163 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1xyp n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xyp s LEU 164 N 0.00 4.38 -0.31 0.99 2.96 -0.88 -4.98 118.68 120.85 1xyp s LEU 164 Ca 0.00 1.58 -0.03 0.00 -0.22 0.00 0.00 54.13 55.47 1xyp s LEU 164 Cb 0.00 -3.67 0.11 0.00 0.50 0.00 0.00 46.19 43.12 1xyp s LEU 164 CO 0.00 0.03 0.14 0.42 -1.32 0.00 0.00 176.35 175.62 1xyp s THR 165 N -1.49 0.11 0.45 3.68 -4.23 -1.26 -3.97 115.64 108.92 1xyp s THR 165 Ca 0.44 -1.05 -0.25 0.00 -1.18 0.00 0.00 61.69 59.65 1xyp s THR 165 Cb -0.18 -1.10 -0.08 0.00 1.34 0.00 0.00 72.50 72.48 1xyp s THR 165 CO 0.23 -0.78 1.36 -0.76 -0.54 0.00 0.00 174.62 174.13 1xyp s LEU 166 N 1.81 4.09 0.00 4.79 1.43 -1.26 -4.39 118.68 125.15 1xyp s LEU 166 Ca 0.11 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 1xyp s LEU 166 Cb -0.18 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1xyp s LEU 166 CO -0.28 -1.12 0.00 0.61 0.23 0.00 0.00 176.35 175.79 1xyp n GLY 167 N 0.62 0.41 3.65 -3.19 0.00 -1.25 -4.87 105.19 100.56 1xyp n GLY 167 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1xyp n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xyp s THR 168 N 1.95 5.29 0.11 2.61 2.01 -0.18 -4.89 115.64 122.54 1xyp s THR 168 Ca 0.00 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1xyp s THR 168 Cb 0.00 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1xyp s THR 168 CO 0.00 0.29 1.10 -0.04 -0.69 0.00 0.00 174.62 175.28 1xyp s MET 169 N 1.28 4.55 0.00 4.92 1.00 -1.26 -0.32 119.30 129.48 1xyp s MET 169 Ca 0.12 1.66 0.00 0.00 0.00 0.00 0.00 55.69 57.47 1xyp s MET 169 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 34.83 31.35 1xyp s MET 169 CO 0.07 -0.03 0.00 -3.47 0.00 0.00 0.00 175.02 171.59 1xyp n ASP 170 N 3.10 0.00 -4.78 3.03 2.03 -0.15 -4.49 116.55 115.29 1xyp n ASP 170 Ca 0.05 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 1xyp n ASP 170 Cb 0.47 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.92 1xyp n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1xyp s TYR 171 N 4.91 2.75 -0.20 -0.67 -0.85 -1.26 -0.82 117.35 121.20 1xyp s TYR 171 Ca 0.00 1.53 -0.04 0.00 -0.52 0.00 0.00 57.07 58.04 1xyp s TYR 171 Cb 0.00 -3.08 0.08 0.00 0.38 0.00 0.00 41.96 39.34 1xyp s TYR 171 CO 0.00 -1.52 0.18 -1.14 -1.52 0.00 0.00 175.55 171.55 1xyp s GLN 172 N -4.31 0.15 0.16 -3.49 0.74 -0.08 -2.39 119.66 110.43 1xyp s GLN 172 Ca 0.64 0.07 0.04 0.00 0.05 0.00 0.00 55.36 56.16 1xyp s GLN 172 Cb -0.18 -1.40 -0.05 0.00 1.10 0.00 0.00 33.01 32.48 1xyp s GLN 172 CO 0.44 -0.69 -0.07 0.96 -0.55 0.00 0.00 175.29 175.39 1xyp s ILE 173 N 2.26 1.01 -0.34 -2.34 -4.36 0.15 -0.58 121.20 117.00 1xyp s ILE 173 Ca 0.05 -2.03 -0.16 0.00 -0.26 0.00 0.00 60.65 58.25 1xyp s ILE 173 Cb -0.16 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 1xyp s ILE 173 CO -0.13 -0.66 0.42 -0.69 0.24 0.00 0.00 174.94 174.12 1xyp s VAL 174 N -3.43 5.11 0.12 8.37 1.01 -0.37 -0.00 120.40 131.21 1xyp s VAL 174 Ca 0.19 0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.48 1xyp s VAL 174 Cb 0.04 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1xyp s VAL 174 CO 0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 175.10 174.79 1xyp s ALA 175 N 2.17 1.97 -0.20 5.51 0.00 0.73 -2.92 121.76 129.02 1xyp s ALA 175 Ca 0.15 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1xyp s ALA 175 Cb -0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1xyp s ALA 175 CO 0.12 0.36 -0.00 0.08 0.00 0.00 0.00 175.76 176.32 1xyp s VAL 176 N -1.37 3.98 -0.03 0.00 1.01 -0.38 -1.31 120.40 122.30 1xyp s VAL 176 Ca 0.10 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1xyp s VAL 176 Cb -0.09 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1xyp s VAL 176 CO 0.05 0.44 -0.21 -0.70 0.00 0.00 0.00 175.10 174.68 1xyp s GLU 177 N 0.91 2.27 0.08 2.72 2.12 -0.18 -1.91 118.70 124.72 1xyp s GLU 177 Ca 0.01 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.55 1xyp s GLU 177 Cb -0.14 -2.19 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 1xyp s GLU 177 CO 0.02 0.59 -0.14 0.20 -0.54 0.00 0.00 175.26 175.39 1xyp s GLY 178 N -0.72 0.90 -0.30 -1.50 0.00 -0.69 -0.99 107.32 104.02 1xyp s GLY 178 Ca 0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.72 1xyp s GLY 178 CO 0.00 -1.12 0.14 -0.47 0.00 0.00 0.00 173.10 171.66 1xyp s TYR 179 N -1.56 0.54 -1.21 1.90 5.04 -0.46 -1.99 117.35 119.61 1xyp s TYR 179 Ca 0.01 -1.10 -0.24 0.00 -2.44 0.00 0.00 57.07 53.29 1xyp s TYR 179 Cb -0.08 -0.99 0.01 0.00 0.35 0.00 0.00 41.96 41.25 1xyp s TYR 179 CO 0.02 -0.83 0.69 1.19 -1.34 0.00 0.00 175.55 175.28 1xyp n PHE 180 N 4.99 -1.66 -2.89 4.97 3.01 -0.31 -4.43 117.46 121.14 1xyp n PHE 180 Ca -0.02 0.33 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1xyp n PHE 180 Cb 0.41 -3.18 0.00 0.00 -0.01 0.00 0.00 39.48 36.70 1xyp n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xyp n SER 181 N -2.50 0.00 -4.19 4.37 3.41 -1.26 -4.75 113.62 108.69 1xyp n SER 181 Ca -0.13 -0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.19 1xyp n SER 181 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1xyp n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xyp s SER 182 N 0.88 0.32 0.00 4.04 0.01 -0.95 -1.26 113.70 116.74 1xyp s SER 182 Ca 0.00 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.95 1xyp s SER 182 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1xyp s SER 182 CO 0.00 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1xyp n GLY 183 N -0.22 -1.60 3.20 3.44 0.00 -0.26 0.28 105.19 110.03 1xyp n GLY 183 Ca -0.01 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 1xyp n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyp s SER 184 N -1.46 -0.04 -0.21 1.61 1.04 -0.77 -1.46 113.70 112.41 1xyp s SER 184 Ca 0.00 -0.25 -0.26 0.00 0.48 0.00 0.00 55.95 55.92 1xyp s SER 184 Cb 0.00 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.50 1xyp s SER 184 CO 0.00 -0.55 0.70 0.00 0.98 0.00 0.00 173.24 174.37 1xyp s ALA 185 N -2.35 -1.76 -0.23 5.32 0.00 -0.32 -0.81 121.76 121.60 1xyp s ALA 185 Ca -0.07 1.82 -0.04 0.00 0.00 0.00 0.00 51.96 53.67 1xyp s ALA 185 Cb -0.02 -0.85 0.08 0.00 0.00 0.00 0.00 23.12 22.33 1xyp s ALA 185 CO -0.02 -0.34 0.09 0.45 0.00 0.00 0.00 175.76 175.93 1xyp s SER 186 N -0.05 3.05 0.02 0.00 0.15 -0.01 -1.24 113.70 115.62 1xyp s SER 186 Ca -0.03 -0.99 0.09 0.00 0.70 0.00 0.00 55.95 55.72 1xyp s SER 186 Cb -0.04 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 1xyp s SER 186 CO 0.03 -0.37 -0.26 -0.63 1.20 0.00 0.00 173.24 173.22 1xyp s ILE 187 N 1.98 2.17 -0.13 6.45 -1.09 -0.20 -1.31 121.20 129.06 1xyp s ILE 187 Ca 0.04 -1.27 0.02 0.00 -2.23 0.00 0.00 60.65 57.21 1xyp s ILE 187 Cb -0.16 -1.81 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 1xyp s ILE 187 CO -0.18 0.44 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.89 1xyp s THR 188 N -0.74 1.80 0.07 2.92 2.01 0.00 -0.99 115.64 120.71 1xyp s THR 188 Ca 0.11 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.32 1xyp s THR 188 Cb -0.10 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1xyp s THR 188 CO 0.01 0.50 0.11 -0.69 -0.69 0.00 0.00 174.62 173.86 1xyp s VAL 189 N 0.94 4.71 0.00 3.82 1.01 0.06 -1.68 120.40 129.25 1xyp s VAL 189 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1xyp s VAL 189 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1xyp s VAL 189 CO -0.03 0.13 0.00 -1.54 0.00 0.00 0.00 175.10 173.67